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Issue 8, 2011
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Mapping the frontier electronic structures of triphenylamine based organic dyes at TiO2 interfaces

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Abstract

The frontier electronic structures of a series of organic dye molecules containing a triphenylamine moiety, a thiophene moiety and a cyanoacrylic acid moiety have been investigated by photoelectron spectroscopy (PES), X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy (XES) and resonant photoelectron spectroscopy (RPES). The experimental results were compared to electronic structure calculations on the molecules, which are used to confirm and enrich the assignment of the spectra. The approach allows us to experimentally measure and interpret the basic valence energy level structure in the dye, including the highest occupied energy level and how it depends on the interaction between the different units. Based on N 1s X-ray absorption and emission spectra we also obtain insight into the structure of the excited states, the molecular orbital composition and dynamics. Together the results provide an experimentally determined energy level map useful in the design of these types of materials. Included are also results indicating femtosecond charge redistribution at the dye/TiO2 interface.

Graphical abstract: Mapping the frontier electronic structures of triphenylamine based organic dyes at TiO2 interfaces

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Publication details

The article was received on 13 Aug 2010, accepted on 08 Nov 2010 and first published on 20 Dec 2010


Article type: Paper
DOI: 10.1039/C0CP01491E
Citation: Phys. Chem. Chem. Phys., 2011,13, 3534-3546
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    Mapping the frontier electronic structures of triphenylamine based organic dyes at TiO2 interfaces

    M. Hahlin, M. Odelius, M. Magnuson, E. M. J. Johansson, S. Plogmaker, D. P. Hagberg, L. Sun, H. Siegbahn and H. Rensmo, Phys. Chem. Chem. Phys., 2011, 13, 3534
    DOI: 10.1039/C0CP01491E

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